1-cyclohexyl-2-cyclopentylethane-1,2-diol

C13H24O2 — CID 103459295

IUPAC1-cyclohexyl-2-cyclopentylethane-1,2-diol
SMILESOC(C1CCCCC1)C(O)C1CCCC1
InChIInChI=1S/C13H24O2/c14-12(10-6-2-1-3-7-10)13(15)11-8-4-5-9-11/h10-15H,1-9H2
InChIKeyBHSSAHGIVQNLHL-UHFFFAOYSA-N
MW212.33 g/mol
LogP2.48
Rot. Bonds3

About 1-cyclohexyl-2-cyclopentylethane-1,2-diol

1-cyclohexyl-2-cyclopentylethane-1,2-diol (PubChem CID 103459295) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 1-cyclohexyl-2-cyclopentylethane-1,2-diol.

Molecular Properties

Compound Name1-cyclohexyl-2-cyclopentylethane-1,2-diol
PubChem CID103459295
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name1-cyclohexyl-2-cyclopentylethane-1,2-diol
SMILESOC(C1CCCCC1)C(O)C1CCCC1
InChIInChI=1S/C13H24O2/c14-12(10-6-2-1-3-7-10)13(15)11-8-4-5-9-11/h10-15H,1-9H2
InChIKeyBHSSAHGIVQNLHL-UHFFFAOYSA-N
XLogP2.48
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 59303636
CID 59303636
(2S)-2-amino-1-cyclohexylpropan-1-ol;hydrochloride
CID 126622776
(1S)-1-cyclohexyl-2,2-dimethoxyethanol
CID 100970044
dicyclopentyl(deuterio)methanol
CID 159152479
(1R,4R)-1,4-dicyclohexylbut-2-yne-1,4-diol
CID 12063945
3-cyclododecylbutan-2-ol
CID 10444334
(1R)-1-cyclohexylethane-1,2-diol
CID 11789331
(1R,2R)-1-cyclohexyl-2-methylpropane-1,3-diol
CID 12709664
2-amino-1-cycloheptyl-3-methylbutan-1-ol
CID 115347541

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-cyclopentylethane-1,2-diol?
The IUPAC name of 1-cyclohexyl-2-cyclopentylethane-1,2-diol (CID 103459295) is 1-cyclohexyl-2-cyclopentylethane-1,2-diol.
What is the SMILES notation for 1-cyclohexyl-2-cyclopentylethane-1,2-diol?
The canonical SMILES for 1-cyclohexyl-2-cyclopentylethane-1,2-diol is OC(C1CCCCC1)C(O)C1CCCC1.
What is the InChIKey of 1-cyclohexyl-2-cyclopentylethane-1,2-diol?
The InChIKey is BHSSAHGIVQNLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c14-12(10-6-2-1-3-7-10)13(15)11-8-4-5-9-11/h10-15H,1-9H2.
What are the key properties of 1-cyclohexyl-2-cyclopentylethane-1,2-diol?
1-cyclohexyl-2-cyclopentylethane-1,2-diol has a molecular weight of 212.33 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-cyclopentylethane-1,2-diol is sourced from PubChem (CID 103459295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).